Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | TACR2 | P21452 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11188523 | 1.00 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL11183396 | 1.00 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL11187375 | 1.00 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL11177536 | 1.00 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL11180285 | 1.00 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| Hydrochloric Acid SCHEMBL11182036 | 0.98 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL11181538 | 0.98 | CYP3A4 (0.43) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| Hydrochloric Acid SCHEMBL11182031 | 0.97 | CYP3A4 (0.43) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL11183418 | 0.94 | NISCH (0.44) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL11175472 | 0.94 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4396617-A | FUNGICIDES | DUPHAR INTERNATIONAL B.V. (NL) | 1983-08-02 | — | — | US | claimed |
| EP-0001663-B1 | NOVEL 2-ARYLAMINO-HEXAHYDROPYRIMIDINES AND -IMIDAZOLIDINES, SALTS AND COMPLEXES THEREOF, METHOD OF PREPARING THE NOVEL COMPOUNDS AND FUNGICIDAL COMPOSITIONS WHICH CONTAIN THE NOVEL COMPOUNDS | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1982-05-12 | — | — | EP | claimed |
| EP-0001663-A1 | Novel 2-arylamino-hexahydropyrimidines and -imidazolidines, salts and complexes thereof, method of preparing the novel compounds and fungicidal compositions which contain the novel compounds | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1979-05-02 | — | — | EP | claimed |
| US-4396617-A | FUNGICIDES | DUPHAR INTERNATIONAL B.V. (NL) | 1983-08-02 | — | — | US | disclosed |
| US-4374143-A | AS FUNGICIDES | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1983-02-15 | — | — | US | disclosed |
| EP-0001663-B1 | NOVEL 2-ARYLAMINO-HEXAHYDROPYRIMIDINES AND -IMIDAZOLIDINES, SALTS AND COMPLEXES THEREOF, METHOD OF PREPARING THE NOVEL COMPOUNDS AND FUNGICIDAL COMPOSITIONS WHICH CONTAIN THE NOVEL COMPOUNDS | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1982-05-12 | — | — | EP | disclosed |
| EP-0001663-A1 | Novel 2-arylamino-hexahydropyrimidines and -imidazolidines, salts and complexes thereof, method of preparing the novel compounds and fungicidal compositions which contain the novel compounds | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1979-05-02 | — | — | EP | disclosed |